chempirical

DL-p-Chlorophenylalanine ethyl ester hydrochloride

C11H15Cl2NO2CAS 52031-05-7264.15 g/mol

Open in Covalent MOL file
OOH2NClHCl
Aryl halideEsterPrimary amine

Properties

Molecular formula
C11H15Cl2NO2
Molar mass
264.15 g/mol
Exact mass
263.0480 Da
Melting point
158 °C
logP
2.19Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4

Identifiers

CAS number
52031-05-7
SMILES
CCOC(=O)C(N)Cc1ccc(Cl)cc1.Cl
InChIKey
FDQIKGOQYNZYOO-UHFFFAOYSA-N
InChI
InChI=1S/C11H14ClNO2.ClH/c1-2-15-11(14)10(13)7-8-3-5-9(12)6-4-8;/h3-6,10H,2,7,13H2,1H3;1H

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Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names
  • Phenylalanine, 4-chloro-, ethyl ester, hydrochloride (1:1)
  • DL-Phenylalanine, 4-chloro-, ethyl ester, hydrochloride
  • Phenylalanine, 4-chloro-, ethyl ester, hydrochloride
  • p-Chlorophenylalanine ethyl ester hydrochloride

Work with DL-p-Chlorophenylalanine ethyl ester hydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Phenylalanine ethyl ester hydrochloride3182-93-274 % similar D-Tyrosine, ethyl ester, hydrochloride (1:1)23234-43-773 % similar Ethyl L-tyrosinate hydrochloride4089-07-073 % similar DL-(p-Chlorophenyl)alanine methyl ester hydrochloride14173-40-172 % similar L-Tyrosine ethyl ester949-67-766 % similar 4-Nitro-L-phenylalanine ethyl ester hydrochloride58816-66-365 % similar Phenylalanine benzyl ester hydrochloride2462-32-054 % similar L-Seryl ethyl ester hydrochloride26348-61-852 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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